General Information of the Compound
| Compound ID |
CP0429738
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| Compound Name |
7-(N-(biphenyl-4-ylmethyl)methylsulfonamido)heptanoic acid
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| Structure |
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| Formula |
C21H27NO4S
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| Molecular Weight |
389.517
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| Canonical SMILES |
CS(=O)(=O)N(CCCCCCC(O)=O)Cc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H27NO4S/c1-27(25,26)22(16-8-3-2-7-11-21(23)24)17-18-12-14-20(15-13-18)19-9-5-4-6-10-19/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H,23,24)
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| InChIKey |
DBNKUVNDIMWAQJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype